CID 207709

30533-86-9

Structural Information

Molecular Formula
C14H16N2O3
SMILES
C#CCOC1=C(C=C(C=C1)N)C(=O)N2CCOCC2
InChI
InChI=1S/C14H16N2O3/c1-2-7-19-13-4-3-11(15)10-12(13)14(17)16-5-8-18-9-6-16/h1,3-4,10H,5-9,15H2
InChIKey
RWQJFPLSEUUFFS-UHFFFAOYSA-N
Compound name
(5-amino-2-prop-2-ynoxyphenyl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12338 158.8
[M+Na]+ 283.10532 166.3
[M-H]- 259.10882 161.1
[M+NH4]+ 278.14992 170.1
[M+K]+ 299.07926 162.5
[M+H-H2O]+ 243.11336 144.3
[M+HCOO]- 305.11430 171.4
[M+CH3COO]- 319.12995 202.8
[M+Na-2H]- 281.09077 160.6
[M]+ 260.11555 150.6
[M]- 260.11665 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.